UCSF

ZINC62982602

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 19 Yes

Popular Name: (2S)-2-(cyclopropylamino)-3-[(3S)-3-morpholinopyrrolidin-1-yl]propanenitrile (2S)-2-(cyclopropylamino)-3-[(3S…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.26 1.68 -5.16 1 5 0 52 264.373 5 ↓
Mid Mid (pH 6-8) 0.26 3.9 -39.01 2 5 1 53 265.381 5 ↓
Mid Mid (pH 6-8) 0.26 4.2 -46.32 2 5 1 53 265.381 5 ↓
Lo Low (pH 4.5-6) 0.26 3.87 -101.1 3 5 2 57 266.389 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.